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Plos Computational Biology|February 14, 2022
gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin supportM Eric Irrgang, Caroline Davis, Peter M Kasson
Bioinformatics (Oxford, England)|June 19, 2018
gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulationsM Eric Irrgang, Jennifer M Hays, Peter M Kasson
Langmuir : the ACS Journal of Surfaces and Colloids|September 17, 2017
Virial Coefficients and Equations of State for Hard Polyhedron FluidsM Eric Irrgang, Michael Engel, Andrew J Schultz, et al.
Nature Materials|September 27, 2016
Quasicrystalline nanocrystal superlattice with partial matching rulesXingchen Ye, Jun Chen, M Eric Irrgang, et al.
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